Crystallography Open Database

Information card for entry 7150902

Preview

Coordinates	7150902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H39 N O Si2
Calculated formula	C31 H39 N O Si2
SMILES	[Si]1(c2ccccc2CC1)(C(C)(C)C)OC(C#C[Si](C)(C)C)(c1ccc(cc1)C)Cc1ncccc1
Title of publication	Kinetic resolution of donor-functionalised tertiary alcohols by Cu‒H-catalysed stereoselective silylation using a strained silicon-stereogenic silane
Authors of publication	Karatas, Betül; Rendler, Sebastian; Fröhlich, Roland; Oestreich, Martin
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2008
Journal volume	6
Journal issue	8
Pages of publication	1435 - 1440
a	10.2158 ± 0.0003 Å
b	10.5173 ± 0.0003 Å
c	16.3911 ± 0.0005 Å
α	72.213 ± 0.002°
β	81.203 ± 0.002°
γ	61.845 ± 0.003°
Cell volume	1478.42 ± 0.09 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180295 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/09.	7150902.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150902.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150902.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7150902.cif